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Author Neyts, E.C.
  Title Atomistic simulations of plasma catalytic processes Type A1 Journal article
  Year 2018 Publication Frontiers of Chemical Science and Engineering Abbreviated Journal Front Chem Sci Eng
  Volume 12 Issue 1 Pages 145-154
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract There is currently a growing interest in the realisation and optimization of hybrid plasma/catalyst systems for a multitude of applications, ranging from nanotechnology to environmental chemistry. In spite of this interest, there is, however, a lack in fundamental understanding of the underlying processes in such systems. While a lot of experimental research is already being carried out to gain this understanding, only recently the first simulations have appeared in the literature. In this contribution, an overview is presented on atomic scale simulations of plasma catalytic processes as carried out in our group. In particular, this contribution focusses on plasma-assisted catalyzed carbon nanostructure growth, and plasma catalysis for greenhouse gas conversion. Attention is paid to what can routinely be done, and where challenges persist.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000425156500017 Publication Date 2017-09-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2095-0179 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.712 Times cited 5 Open Access Not_Open_Access
  Notes Approved Most recent IF: 1.712
  Call Number UA @ lucian @ c:irua:149233 Serial 4927
Permanent link to this record
 
 
Author Bogaerts, A.; Yusupov, M.; Razzokov, J.; Van der Paal, J.
  Title Plasma for cancer treatment: How can RONS penetrate through the cell membrane? Answers from computer modeling Type A1 Journal article
  Year 2019 Publication Frontiers of Chemical Science and Engineering Abbreviated Journal Front Chem Sci Eng
  Volume Issue Pages
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma is gaining increasing interest for cancer

treatment, but the underlying mechanisms are not yet fully

understood. Using computer simulations at the molecular

level, we try to gain better insight in how plasma-generated

reactive oxygen and nitrogen species (RONS) can

penetrate through the cell membrane. Specifically, we

compare the permeability of various (hydrophilic and

hydrophobic) RONS across both oxidized and nonoxidized cell membranes. We also study pore formation,

and how it is hampered by higher concentrations of

cholesterol in the cell membrane, and we illustrate the

much higher permeability of H2O2 through aquaporin

channels. Both mechanisms may explain the selective

cytotoxic effect of plasma towards cancer cells. Finally, we

also discuss the synergistic effect of plasma-induced

oxidation and electric fields towards pore formation.

Keywords plasma medicine, cancer treatment, computer

modelling, cell membrane, reactive oxygen and nitrogen

species
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000468848400004 Publication Date 2019-03-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2095-0179 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.712 Times cited 5 Open Access Not_Open_Access: Available from 23.05.2020
  Notes We acknowledge financial support from the Research Foundation–Flanders (FWO; Grant Nos. 1200216N and 11U5416N). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. We are also very thankful to R. Cordeiro for the very interesting discussions. Approved Most recent IF: 1.712
  Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:159977 Serial 5172
Permanent link to this record
 
 
Author Brault, P.; Chamorro-Coral, W.; Chuon, S.; Caillard, A.; Bauchire, J.-M.; Baranton, S.; Coutanceau, C.; Neyts, E.
  Title Molecular dynamics simulations of initial Pd and PdO nanocluster growth in a magnetron gas aggregation source Type A1 Journal article
  Year 2019 Publication Frontiers of Chemical Science and Engineering Abbreviated Journal Front Chem Sci Eng
  Volume 13 Issue 2 Pages 324-329
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Molecular dynamics simulations are carried out for describing growth of Pd and PdO nanoclusters using the ReaxFF force field. The resulting nanocluster structures are successfully compared to those of nanoclusters experimentally grown in a gas aggregation source. The PdO structure is quasi-crystalline as revealed by high resolution transmission microscope analysis for experimental PdO nanoclusters. The role of the nanocluster temperature in the molecular dynamics simulated growth is highlighted.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000468848400009 Publication Date 2019-03-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2095-0179 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.712 Times cited 3 Open Access Not_Open_Access
  Notes Approved Most recent IF: 1.712
  Call Number UA @ admin @ c:irua:160278 Serial 5276
Permanent link to this record
 
 
Author Neyts, E.C.
  Title Special Issue on future directions in plasma nanoscience Type Editorial
  Year 2019 Publication Frontiers of Chemical Science and Engineering Abbreviated Journal Front Chem Sci Eng
  Volume 13 Issue 2 Pages 199-200
  Keywords Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000468848400001 Publication Date 2019-05-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2095-0179 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.712 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 1.712
  Call Number UA @ admin @ c:irua:160277 Serial 5280
Permanent link to this record
 
 
Author Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title On the relative stabilities of the linear and triangular forms of B3N Type A1 Journal article
  Year 1993 Publication Chemical physics Abbreviated Journal Chem Phys
  Volume 178 Issue Pages 77-82
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos A1993MP94200006 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0301-0104; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.652 Times cited 9 Open Access
  Notes Approved CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 #
  Call Number UA @ lucian @ c:irua:6150 Serial 2453
Permanent link to this record
 
 
Author Verheijen, M.A.; Meekes, H.; Meijer, G.; Bennema, P.; de Boer, J.L.; van Smaalen, S.; Van Tendeloo, G.; Amelinckx, S.; Muto, S.; van Landuyt, J.
  Title The structure of different phases of pure C70 crystals Type A1 Journal article
  Year 1992 Publication Chemical physics Abbreviated Journal Chem Phys
  Volume 166 Issue Pages 287-297
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos A1992JQ46300026 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0301-0104; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.652 Times cited 168 Open Access
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #
  Call Number UA @ lucian @ c:irua:4104 Serial 3309
Permanent link to this record
 
 
Author van Heurck, C.; Van Tendeloo, G.; Amelinckx, S.
  Title The modulated structure in the melilite CA2ZnGe2O7 Type A1 Journal article
  Year 1992 Publication Physics and chemistry of minerals Abbreviated Journal Phys Chem Miner
  Volume 8 Issue Pages 441-452
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Berlin Editor
  Language Wos A1992HM23200005 Publication Date 2004-08-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0342-1791;1432-2021; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.538 Times cited 19 Open Access
  Notes Approved CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 #
  Call Number UA @ lucian @ c:irua:4438 Serial 2164
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Author Lemmens, H.; Czank, M.; Van Tendeloo, G.; Amelinckx, S.
  Title Defect structure of the low temperature α-cristobalite phase and the cristobalite <-> tridymite transformation in (Si-Ge)O2 Type A1 Journal article
  Year 2000 Publication Physics and chemistry of minerals Abbreviated Journal Phys Chem Miner
  Volume 27 Issue 6 Pages 386-397
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Berlin Editor
  Language Wos 000087959700004 Publication Date 2002-10-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0342-1791;1432-2021; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.521 Times cited 5 Open Access
  Notes Approved Most recent IF: 1.521; 2000 IF: 1.513
  Call Number UA @ lucian @ c:irua:54725 Serial 622
Permanent link to this record
 
 
Author Pilehvar, S.; Dardenne, F.; Blust, R.; De Wael, K.
  Title Electrochemical sensing of phenicol antibiotics at gold Type A1 Journal article
  Year 2012 Publication International journal of electrochemical science Abbreviated Journal Int J Electrochem Sc
  Volume 7 Issue 6 Pages 5000-5011
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Phenicols are an effective and a broad spectrum class of antibiotics which has lost favour due to their side effects on human health. A rapid and sensitive electrochemical detection system is developed for the simultaneous detection of chloramphenicol (CAP), thiamphenicol (TAP) and florfenicol (FF). The electrochemical behaviour of CAP in the presence of its derivatives was investigated by cyclic voltammetry (CV) and square wave voltammetry (SWV). At a gold electrode, CAP gives rise to a sensitive cathodic peak at −0.68V (versus SCE) in a tris buffer solution (pH 7.6). This behavior gives us the opportunity to introduce a method for sensing CAP electrochemically in the presence of its derivatives. Calibration graphs were linear in the 2.5-7.4 μmol L-1 concentration range. Deviations from linearity were observed for higher concentrations and this was interpreted to be due to kinetic limitation caused by the saturation of CAP and its reduction products onto the gold electrode surface. A limit of detection of 1 μmol L-1 was found.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1452-3981 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.469 Times cited Open Access
  Notes ; ; Approved Most recent IF: 1.469; 2012 IF: NA
  Call Number UA @ admin @ c:irua:98344 Serial 5595
Permanent link to this record
 
 
Author De Wael, K.; Verstraete, A.; van Vlierberghe, S.; Dejonghe, W.; Dubruel, P.; Adriaens, A.
  Title The electrochemistry of a gelatin modified gold electrode Type A1 Journal article
  Year 2011 Publication International journal of electrochemical science Abbreviated Journal Int J Electrochem Sc
  Volume 6 Issue 6 Pages 1810-1819
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract This paper discusses the electrochemical behaviour of gelatin coated gold electrodes in physiological pH conditions in a potential window −1.5 till 1.0 V vs SCE by performing cyclic voltammetry. A comparison is made between gelatin A and gelatin B, which have respectively a positive and a negative net charge at physiological pH. The deposition of gelatin onto the gold surface is confirmed by means of attenuated total reflection-infrared (ATR-IR) spectroscopic analyses.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1452-3981 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
  Impact Factor (down) 1.469 Times cited Open Access
  Notes ; The authors would like to acknowledge the Flemish Institute for Technological Research (VITO, Belgium) and the Research Foundation-Flanders (FWO, Belgium) for the Ph.D. funding granted to Annelies Verstraete. Karolien De Wael and Sandra Van Vlierberghe are also grateful to the Research Foundation-Flanders (FWO, Belgium) for their postdoctoral fellowship. ; Approved Most recent IF: 1.469; 2011 IF: 3.729
  Call Number UA @ admin @ c:irua:89617 Serial 5598
Permanent link to this record
 
 
Author Petrishcheva, E.; Tiede, L.; Schweinar, K.; Habler, G.; Li, C.; Gault, B.; Abart, R.
  Title Spinodal decomposition in alkali feldspar studied by atom probe tomography Type A1 Journal article
  Year 2020 Publication Physics And Chemistry Of Minerals Abbreviated Journal Phys Chem Miner
  Volume 47 Issue 7 Pages Unsp 30
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We used atom probe tomography to complement electron microscopy for the investigation of spinodal decomposition in alkali feldspar. To this end, gem-quality alkali feldspar of intermediate composition with a mole fraction of a(K) = 0.43 of the K end-member was prepared from Madagascar orthoclase by ion-exchange with (NaK)Cl molten salt. During subsequent annealing at 550 degrees C and close to ambient pressure the ion-exchanged orthoclase unmixed producing a coherent lamellar intergrowth of Na-rich and K-rich lamellae. The chemical separation was completed, and equilibrium Na-K partitioning between the different lamellae was attained within four days, which was followed by microstructural coarsening. After annealing for 4 days, the wavelength of the lamellar microstructure was approximate to 17 nm and it increased to approximate to 30 nm after annealing for 16 days. The observed equilibrium compositions of the Na-rich and K-rich lamellae are in reasonable agreement with an earlier experimental determination of the coherent solvus. The excess energy associated with compositional gradients at the lamellar interfaces was quantified from the initial wavelength of the lamellar microstructure and the lamellar compositions as obtained from atom probe tomography using the Cahn-Hilliard theory. The capability of atom probe tomography to deliver quantitative chemical compositions at nm resolution opens new perspectives for studying the early stages of exsolution. In particular, it helps to shed light on the phase relations in nm scaled coherent intergrowth.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000540150400001 Publication Date 2020-06-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0342-1791 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.4 Times cited Open Access OpenAccess
  Notes ; Open access funding provided by Austrian Science Fund (FWF). This project was funded by the FWF Project P28238-N29. KS acknowledges IMPRS-SurMat for funding. Uwe Tezins, Andreas Sturm and Christian Bross are acknowledged for their support at the FIB & APT facilities at MPIE. We gratefully acknowledge the thorough and constructive reviews by Herbert Kroll and Luis Sanchez Munoz, who substantially contributed to improving an earlier version of the manuscript. ; Approved Most recent IF: 1.4; 2020 IF: 1.521
  Call Number UA @ admin @ c:irua:170208 Serial 6611
Permanent link to this record
 
 
Author Li, Y.; Zhang, X.; Geise, H.J.; Van Tendeloo, G.
  Title Behavior of Ni-doped MgMoO4 single-phase catalysts for synthesis of multiwalled carbon nanotube bundles Type A1 Journal article
  Year 2007 Publication Chemical vapor deposition Abbreviated Journal Chem Vapor Depos
  Volume 13 Issue 1 Pages 30-36
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000244062200005 Publication Date 2007-01-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0948-1907;1521-3862; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.333 Times cited 4 Open Access
  Notes Approved Most recent IF: 1.333; 2007 IF: 1.936
  Call Number UA @ lucian @ c:irua:63787 Serial 225
Permanent link to this record
 
 
Author Neyts, E.; Eckert, M.; Bogaerts, A.
  Title Molecular dynamics simulations of the growth of thin a-C:H films under additional ion bombardment: influence of the growth species and the Ar+ ion kinetic energy Type A1 Journal article
  Year 2007 Publication Chemical vapor deposition Abbreviated Journal Chem Vapor Depos
  Volume 13 Issue 6/7 Pages 312-318
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000248381800007 Publication Date 2007-07-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0948-1907;1521-3862; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.333 Times cited 14 Open Access
  Notes Approved Most recent IF: 1.333; 2007 IF: 1.936
  Call Number UA @ lucian @ c:irua:64532 Serial 2176
Permanent link to this record
 
 
Author Eckert, M.; Neyts, E.; Bogaerts, A.
  Title Molecular dynamics simulations of the sticking and etch behavior of various growth species of (ultra)nanocrystalline diamond films Type A1 Journal article
  Year 2008 Publication Chemical vapor deposition Abbreviated Journal Chem Vapor Depos
  Volume 14 Issue 7/8 Pages 213-223
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The reaction behavior of species that may affect the growth of ultrananocrystal line and nanocrystalline diamond ((U)NCD) films is investigated by means of molecular dynamics simulations. Impacts of CHx (x = 0 – 4), C2Hx (x=0-6), C3Hx (x=0-2), C4Hx (x = 0 – 2), H, and H-2 on clean and hydrogenated diamond (100)2 x 1 and (111) 1 x 1 surfaces at two different substrate temperatures are simulated. We find that the different bonding structures of the two surfaces cause different temperature effects on the sticking efficiency. These results predict a temperature-dependent ratio of diamond (100) and (111) growth. Furthermore, predictions of which are the most important hydrocarbon species for (U)NCD growth are made.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000259302700008 Publication Date 2008-08-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0948-1907;1521-3862; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.333 Times cited 25 Open Access
  Notes Approved Most recent IF: 1.333; 2008 IF: 1.483
  Call Number UA @ lucian @ c:irua:70001 Serial 2177
Permanent link to this record
 
 
Author Baguer, N.; Neyts, E.; van Gils, S.; Bogaerts, A.
  Title Study of atmospheric MOCVD of TiO2 thin films by means of computational fluid dynamics simulations Type A1 Journal article
  Year 2008 Publication Chemical vapor deposition Abbreviated Journal Chem Vapor Depos
  Volume 14 Issue 11/12 Pages 339-346
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract This paper presents the computational study of the metal-organic (MO) CVD of titanium dioxide (TiO2) films grown using titanium tetraisopropoxide (TTIP) as a precursor and nitrogen as a carrier gas. The TiO2 films are deposited under atmospheric pressure. The effects of the precursor concentration, the substrate temperature, and the hydrolysis reaction on the deposition process are investigated. It is found that hydrolysis of the TTIP decreases the onset temperature of the gas-phase thermal decomposition, and that the deposition rate increases with the precursor concentration and with the decrease of substrate temperature. Concerning the mechanism responsible for the film growth, the model shows that at the lowest precursor concentration, the direct adsorption of the precursor is dominant, while at higher precursor concentrations, the monomer deposition becomes more important.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000262215800003 Publication Date 2008-12-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0948-1907;1521-3862; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.333 Times cited 14 Open Access
  Notes Approved Most recent IF: 1.333; 2008 IF: 1.483
  Call Number UA @ lucian @ c:irua:71905 Serial 3325
Permanent link to this record
 
 
Author Verbruggen, S.W.; Tytgat, T.; Van Passel, S.; Martens, J.A.; Lenaerts, S.
  Title Cost-effectiveness analysis to assess commercial TiO2 photocatalysts for acetaldehyde degradation in air Type A1 Journal article
  Year 2014 Publication Chemicke zvesti Abbreviated Journal Chem Pap
  Volume 68 Issue 9 Pages 1273-1278
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract In the commercialisation of photocatalytic air purifiers, the performance as well as the cost of the catalytic material plays an important role. Where most comparative studies only regard the photocatalytic activity as a decisive parameter, in this study both activity and cost are taken into account. Using a cost-effectiveness analysis, six different commercially available TiO2-based catalysts are evaluated in terms of their activities in photocatalytic degradation of acetaldehyde as a model reaction for indoor air purification.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000336443400015 Publication Date 2014-02-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0366-6352 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.258 Times cited 10 Open Access
  Notes ; S. W. V. wishes to thank the Research Foundation Flanders (FWO) for the financial support received. The authors are grateful to the University of Antwerp for supporting and funding this research. Evonik is sincerely thanked for providing catalyst samples for our experiments free of charge. All companies are thanked for providing specific pricing data. ; Approved Most recent IF: 1.258; 2014 IF: 1.468
  Call Number UA @ admin @ c:irua:117297 Serial 6174
Permanent link to this record
 
 
Author Nikolaev, A.V.; Michel, K.H.
  Title Many electron- and hole terms of molecular ions C60n\pm Type A1 Journal article
  Year 2003 Publication Coupling In Chemistry And Physics Abbreviated Journal Adv Quantum Chem
  Volume 44 Issue Pages 305-312
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000188940800019 Publication Date 2004-05-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0065-3276; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.196 Times cited 1 Open Access
  Notes Approved Most recent IF: 1.196; 2003 IF: 0.375
  Call Number UA @ lucian @ c:irua:104131 Serial 1942
Permanent link to this record
 
 
Author Lamoen, D.; March, N.H.
  Title Gradient expansion and beyond for stress tensor and tangential pressure deficit through a planar liquid-vapour interface Type A1 Journal article
  Year 2000 Publication Physics And Chemistry Of Liquids Abbreviated Journal Phys Chem Liq
  Volume 38 Issue Pages 495-504
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000087986300011 Publication Date 2007-07-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9104;1029-0451; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.145 Times cited 1 Open Access
  Notes Approved Most recent IF: 1.145; 2000 IF: 0.267
  Call Number UA @ lucian @ c:irua:27831 Serial 1362
Permanent link to this record
 
 
Author Leys, F.E.; March, N.H.; Lamoen, D.
  Title Relativistic virial relations for both homogeneous and spatially varying electron liquids Type A1 Journal article
  Year 2004 Publication Physics And Chemistry Of Liquids Abbreviated Journal Phys Chem Liq
  Volume 42 Issue Pages 423-431
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000222750800010 Publication Date 2004-07-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9104;1029-0451; ISBN Additional Links UA library record; WoS full record;
  Impact Factor (down) 1.145 Times cited Open Access
  Notes Approved Most recent IF: 1.145; 2004 IF: 0.478
  Call Number UA @ lucian @ c:irua:47379 Serial 2862
Permanent link to this record
 
 
Author Alonso, J.A.; López, M.J.; March, N.H.; Lamoen, D.
  Title Some properties of a model liquid of C60 buckyballs Type A1 Journal article
  Year 2002 Publication Physics And Chemistry Of Liquids Abbreviated Journal Phys Chem Liq
  Volume 40 Issue Pages 457
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000178012900008 Publication Date 2004-04-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9104;1029-0451; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.145 Times cited 4 Open Access
  Notes Approved Most recent IF: 1.145; 2002 IF: 0.533
  Call Number UA @ lucian @ c:irua:41407 Serial 3055
Permanent link to this record
 
 
Author Matthai, C.C.; March, N.H.; Lamoen, D.
  Title Supercooled molecular liquids and the glassy phases of chemically bonded N, P, As, Si and Ge Type A1 Journal article
  Year 2009 Publication Physics and chemistry of liquids Abbreviated Journal Phys Chem Liq
  Volume 47 Issue 6 Pages 607-613
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Glassy phases which have insulating character exist for a variety of monatomic species. By contrast, until recently, it has been possible to make bulk metallic glasses (BMG) by vitrification only for multicomponent systems. After a relatively brief summary on supercooling of a few molecular liquids, we review some of the recently reported results on molecular assemblies of the series N, P, As and amorphous Si and Ge. Based on these results, we suggest that the transition metals with their directional bonding might be suitable candidates for the production of BMG by vitrification.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000273047400003 Publication Date 2009-11-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9104;1029-0451; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.145 Times cited 1 Open Access
  Notes BoF Approved Most recent IF: 1.145; 2009 IF: 0.580
  Call Number UA @ lucian @ c:irua:80653 Serial 3376
Permanent link to this record
 
 
Author Matthai, C.C.; Lamoen, D.; March, N.H.
  Title Melting temperatures and possible precursor plastic phases of CCl4and GeI4as a function of pressure Type A1 Journal article
  Year 2016 Publication Physics and chemistry of liquids Abbreviated Journal Phys Chem Liq
  Volume 54 Issue 54 Pages 130-134
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The motivation for the present study is to be found in the recent experiments of Fuchizaki and Hamaya on GeI4. They observed a rapid increase in the melting temperature Tm in going from atmospheric pressure to p ~ 2.6 GPa. Tm was found to be largely independent of pressure above this value. In this paper, heuristic arguments are presented to support the idea that until some critical pressure, a crystalline phase of SnI4, CCl4 and GeI4 molecular solids melts into a low density liquid. However, at this critical pressure, a phase boundary intersects Tm(p), separating a low density liquid phase from a high density liquid. The new phase boundary is between the crystal and an amorphous molecular solid with increasing polymerisation as the pressure is increased.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000365724100012 Publication Date 2015-07-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9104 ISBN Additional Links UA library record; WoS full record
  Impact Factor (down) 1.145 Times cited Open Access
  Notes NHM wishes to thank Professors D. Lamoen and C. Van Alsenoy for making possible the continuing affiliation of Approved Most recent IF: 1.145
  Call Number c:irua:130190 Serial 4029
Permanent link to this record
 
 
Author Shpanchenko, R.V.; Chyornaya, V.V.; Abakumov, A.M.; Antipov, E.V.; Hadermann, J.; Van Tendeloo, G.; Kaul, E.; Geibel, C.; Sheptyakov, D.; Balagurov, A.M.
  Title Crystal structure and magnetic properties of novel reduced V(IV)-based oxide Pb2V5O12 Type A1 Journal article
  Year 2001 Publication Zeitschrift für anorganische und allgemeine Chemie Abbreviated Journal Z Anorg Allg Chem
  Volume 627 Issue Pages 2143-2150
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Leipzig Editor
  Language Wos 000171339000023 Publication Date 2002-08-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0044-2313;1521-3749; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.144 Times cited 4 Open Access
  Notes Approved Most recent IF: 1.144; 2001 IF: 1.165
  Call Number UA @ lucian @ c:irua:36048 Serial 560
Permanent link to this record
 
 
Author Alekseeva, A.M.; Abakumov, A.M.; Leithe-Jasper, A.; Schnelle, W.; Prots, Y.; Hadermann, J.; Van Tendeloo, G.; Antipov, E.V.; Grin, Y.
  Title Mg1-xRhB, a new boridometallide with 2D polyanion Type A1 Journal article
  Year 2005 Publication Zeitschrift für anorganische und allgemeine Chemie Abbreviated Journal Z Anorg Allg Chem
  Volume 631 Issue 6/7 Pages 1047-1054
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Leipzig Editor
  Language Wos 000228931900010 Publication Date 2005-04-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0044-2313;1521-3749; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.144 Times cited 13 Open Access
  Notes Iap V-1 Approved Most recent IF: 1.144; 2005 IF: 1.202
  Call Number UA @ lucian @ c:irua:52374 Serial 3543
Permanent link to this record
 
 
Author Mazo, G.N.; Savvin, S.N.; Abakumov, A.M.; Hadermann, J.; Dobrovol'skii, Y.A.; Leonova, L.S.
  Title Lanthanum-strontium cuprate as a promising cathodic matreila for solid oxide fuel cells Type A1 Journal article
  Year 2007 Publication Russian journal of electrochemistry Abbreviated Journal Russ J Electrochem+
  Volume 43 Issue 4 Pages 436-442
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000246338500010 Publication Date 2007-05-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1023-1935;1608-3342; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 0.828 Times cited 8 Open Access
  Notes Approved Most recent IF: 0.828; 2007 IF: 0.263
  Call Number UA @ lucian @ c:irua:62062 Serial 1777
Permanent link to this record
 
 
Author Oleynikov, P.N.; Shpanchenko, R.V.; Rozova, M.G.; Abakumov, A.M.; Antipov, E.V.; Hadermann, J.; Lebedev, O.I.; Van Tendeloo, G.
  Title Synthesis and structure of fluorinated RBa2Cu2O6+. (R=Dy, Ho and Tm) phases Type A1 Journal article
  Year 2001 Publication Russian journal of inorganic chemistry Abbreviated Journal Russ J Inorg Chem+
  Volume 46 Issue 2 Pages 153-158
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0036-0236 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 0.787 Times cited Open Access
  Notes Approved Most recent IF: 0.787; 2001 IF: NA
  Call Number UA @ lucian @ c:irua:36045 Serial 3443
Permanent link to this record
 
 
Author Malkov, I., V; Krivetskii, V.V.; Potemkin, D., I; Zadesenets, A., V; Batuk, M.M.; Hadermann, J.; Marikutsa, A., V; Rumyantseva, M.N.; Gas'kov, A.M.
  Title Effect of Bimetallic Pd/Pt Clusters on the Sensing Properties of Nanocrystalline SnO2 in the Detection of CO Type A1 Journal article
  Year 2018 Publication Russian journal of inorganic chemistry Abbreviated Journal Russ J Inorg Chem+
  Volume 63 Issue 8 Pages 1007-1011
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Nanocrystalline tin dioxide modified by Pd and Pt clusters or by bimetallic PdPt nanoparticles was synthesized. Distribution of the modifers on the SnO2 surface was studied by high-resolution transmission electron microscopy and energy dispersive X-ray microanalysis with element distribution mapping. It was shown that the Pd/Pt ratio in bimetallic particles varies over a broad range and does not depend on the particle diameter. The effect of platinum metals on the reducibility of nanocrystalline SnO2 by hydrogen was determined. The sensing properties of the resulting materials towards 6.7 ppm CO in air were estimated in situ by electrical conductivity measurements. The sensor response of SnO2 modified with bimetallic PdPt particles was a superposition of the signals of samples with Pt and Pd clusters.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000442749500003 Publication Date 2018-08-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0036-0236 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 0.787 Times cited 3 Open Access Not_Open_Access
  Notes ; This work was supported by the ERA.Net RUS Plus program (project 096 FONSENS, RFBR grant 16-53-76001). ; Approved Most recent IF: 0.787
  Call Number UA @ lucian @ c:irua:153752 Serial 5092
Permanent link to this record
 
 
Author Kovba, M.L.; Skolis, Y.Y.; Abakumov, A.M.; Hadermann, J.; Sukhushina, I.S.
  Title The synthesis and thermodynamic properties of strontium fluoromanganite Sr2.5Mn6O12.5-\deltaF2 Type A1 Journal article
  Year 2010 Publication Russian journal of physical chemistry A Abbreviated Journal Russ J Phys Chem A+
  Volume 84 Issue 12 Pages 2033-2038
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The existence of the [SrF(0.8)O(0.1)](2.5)[Mn(6)O(12)] = Sr(2.5)Mn(6)O(12.5 – delta)F(2) compound was established in the SrO-Mn(2)O(3)-SrF(2) system at 900A degrees C and p(O(2)) = 1 atm. The crystal structure of strontium fluoromanganite was determined from the X-ray powder diffraction data, electron diffraction, and high-resolution electron microscopy. It can be described in the monoclynic system with four Miller hklm indices: hklm: H = h a* + k b* + l c (1) (*) + m q (1), q (1), q (1) = c (2) (*) = gamma c (1) (*) , gamma a parts per thousand 0.632, a a parts per thousand a a parts per thousand 9.72 , b a parts per thousand 9.55 , c (1) a parts per thousand 2.84 , c (2) a parts per thousand 4.49 , monoclinic angle gamma a parts per thousand 95.6A degrees. The electromotive force method with a solid fluorine ion electrolyte was used to refine the composition of fluoromanganite and determine the thermodynamic functions of its formation from phases neighboring in the phase diagram (SrMn(3)O(6), Mn(2)O(3), SrF(2), and oxygen), Delta GA degrees, kJ/mol = -(111.7 +/- 1.9) + (89.5 +/- 1.5) x 10(-3) T.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000284775000004 Publication Date 2011-02-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0036-0244;1531-863X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 0.581 Times cited 1 Open Access
  Notes Approved Most recent IF: 0.581; 2010 IF: 0.503
  Call Number UA @ lucian @ c:irua:99190 Serial 3601
Permanent link to this record
 
 
Author Panin, R.V.; Khasanova, N.R.; Abakumov, A.M.; Schnelle, W.; Hadermann, J.; Antipov, E.V.
  Title Crystal structure and properties of the Na1-xRu2O4 phase Type A1 Journal article
  Year 2006 Publication Russian chemical bulletin Abbreviated Journal Russ Chem B+
  Volume 55 Issue 10 Pages 1717-1722
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000245091400003 Publication Date 2007-03-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1066-5285;1573-9171; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 0.529 Times cited 5 Open Access
  Notes Approved Most recent IF: 0.529; 2006 IF: 0.505
  Call Number UA @ lucian @ c:irua:63810 Serial 566
Permanent link to this record
 
 
Author Shpanchenko, R.V.; Tsirlin, A.A.; Hadermann, J.; Antipov, E.V.
  Title Synthesis and crystal structure of new titanyl phosphate Sr2TiO(PO4)2 Type A1 Journal article
  Year 2008 Publication Russian chemical bulletin Abbreviated Journal Russ Chem B+
  Volume 57 Issue 3 Pages 552-556
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract New strontium titanyl phosphate Sr2TiO(PO4)2 (1) was synthesized and characterized by X-ray powder diffraction, electron diffraction, high-resolution electron microscopy, and band structure calculations. Titanyl phosphate 1 is isostructural with vanadyl phosphate Sr2VO(PO4)2 and has a layered structure. The titanium atoms are shifted from the centers of the TiO6 octahedra and form short (1.74 Å) titanyl bonds. The structure of 1 is an unusual example of the disordered orientation of the chains formed by TiO6 octahedra in complex titanium phosphates.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000263566900015 Publication Date 2009-03-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1066-5285;1573-9171; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 0.529 Times cited 2 Open Access
  Notes Approved Most recent IF: 0.529; 2008 IF: 0.469
  Call Number UA @ lucian @ c:irua:73712 Serial 3423
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